<div dir="ltr">Hi, <div>My system is protein +DNA.</div><div>I am trying to perform implicit solvent calculation using Amber 99.</div><div>In the begging I wanted to minimize the system and got this error message.</div><div>
<br></div><div><br></div><div><div>GB parameter(s) missing or negative for atom type 'OS'</div><div><br></div><div>GB parameter(s) missing or negative for atom type 'H2'</div><div><br></div><div>GB parameter(s) missing or negative for atom type 'N*'</div>
<div><br></div><div>GB parameter(s) missing or negative for atom type 'CM'</div><div><br></div><div>GB parameter(s) missing or negative for atom type 'P'</div><div><br></div><div>-------------------------------------------------------</div>
<div>Program grompp, VERSION 4.5.4</div><div>Source code file: grompp.c, line: 1123</div><div><br></div><div>Fatal error:</div><div>Can't do GB electrostatics; the implicit_genborn_params section of the forcefield is missing parameters for 5 atomtypes or they might be negative.</div>
<div>For more information and tips for troubleshooting, please check the GROMACS</div><div>website at <a href="http://www.gromacs.org/Documentation/Errors">http://www.gromacs.org/Documentation/Errors</a></div></div><div><br>
</div><div>All the atoms, in which parametres are missing belong to DNA.</div><div>Should I add them manually to gbsa.itp? ( but i don't know the right parameters?).</div><div><br></div><div>Thanks in advance.</div><div>
Netaly Khazanov.</div><div>Post-doctoral student.</div><div><br></div><div><br></div><div><br></div></div>